SCHEMBL4186784

SCHEMBL4186784

O=C(Cc1cccc(C2CCCC2)c1O)OC1C2CCC1CNC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
SSTR4 P31391 2/20 0.31
PTPN5 P54829 3/20 0.31
CYP19A1 P11511 1/20 0.30
PTPN2 P17706 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4183549 0.88 NAAA (0.37) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL4982571 0.87 NAAA (0.39) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL4987231 0.87 NAAA (0.39) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL4184504 0.84 OPRM1 (0.33) NAAAPTGDR2OPRM1OPRK1PTPN5
SCHEMBL1999955 0.81 SLC6A2 (0.40) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL20476348 0.81 KDM4E (0.41) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL4190993 0.80 GRIN2B (0.39) ALDH1A1
SCHEMBL4977956 0.79 OPRM1 (0.34) NAAAPTGDR2OPRM1OPRK1PTPN5
SCHEMBL4193805 0.79 GRIN2B (0.38) PTGDR2KDM4EALDH1A1HPGD
SCHEMBL4985782 0.78 OPRM1 (0.33) NAAAPTGDR2KDM4EALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US claimed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP claimed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO claimed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 NAAA 1479/4885PTGDR2 195/4885SLC6A2 874/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.